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BDBM50302226 4-(4-(2,6-difluorobenzyl)piperazin-1-yl)-2-(3,4-dimethoxybenzyl)isoindoline-1,3-dione::CHEMBL566364

SMILES: COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5c(F)cccc5F)CC4)c3C2=O)cc1OC

InChI Key: InChIKey=WPRDJOXSKKQDNA-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50302226   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urotensin II receptor


(Homo sapiens (Human))
BDBM50302226
PNG
(4-(4-(2,6-difluorobenzyl)piperazin-1-yl)-2-(3,4-di...)
Show SMILES COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5c(F)cccc5F)CC4)c3C2=O)cc1OC
Show InChI InChI=1S/C28H27F2N3O4/c1-36-24-10-9-18(15-25(24)37-2)16-33-27(34)19-5-3-8-23(26(19)28(33)35)32-13-11-31(12-14-32)17-20-21(29)6-4-7-22(20)30/h3-10,15H,11-14,16-17H2,1-2H3
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
310n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50302226
PNG
(4-(4-(2,6-difluorobenzyl)piperazin-1-yl)-2-(3,4-di...)
Show SMILES COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5c(F)cccc5F)CC4)c3C2=O)cc1OC
Show InChI InChI=1S/C28H27F2N3O4/c1-36-24-10-9-18(15-25(24)37-2)16-33-27(34)19-5-3-8-23(26(19)28(33)35)32-13-11-31(12-14-32)17-20-21(29)6-4-7-22(20)30/h3-10,15H,11-14,16-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat urotensin 2 receptor expressed in CHOK1 cells assessed as inhibition of urotensin 2-induced intracellular calcium mobiliza...


J Med Chem 52: 7432-45 (2009)


Article DOI: 10.1021/jm900683d
BindingDB Entry DOI: 10.7270/Q2S75GD7
More data for this
Ligand-Target Pair